UCSF

ZINC08599903

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2007 30 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.04 14.46 -10.23 1 3 0 36 394.518 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z103014-1-O Human Papillomavirus - 16 (cluster #1 Of 1), Other Other 1300 0.27 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z103014 Z103014 Human Papillomavirus - 16 1300 0.27 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )